refs: complete coordinates across all 44 boards

data/reference_vidraft.json

@@ -56,6 +56,32 @@
    "baseline_best_auroc": 0.814247311827957,
    "noise_floor": 0.742835624347912
   },
+  {
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+   "n_test": 460,
+   "mae": 0.6575621739130435,
+   "auroc": 0.6388761904761905,
+   "prauc": 0.627063341447837,
+   "exact_hits": 0,
+   "exact_rate": 0.0,
+   "leak": "clean",
+   "baseline_best_mae": 0.622604668394136,
+   "baseline_best_auroc": 0.6377142857142856,
+   "noise_floor": 0.4821333225358665
+  },
+  {
+   "board": "BACE1",
+   "n_test": 278,
+   "mae": 0.8740338129496403,
+   "auroc": 0.9312725899552247,
+   "prauc": 0.8900931477815491,
+   "exact_hits": 0,
+   "exact_rate": 0.0,
+   "leak": "clean",
+   "baseline_best_mae": 0.9674177988332499,
+   "baseline_best_auroc": 0.9232885580190969,
+   "noise_floor": 0.2119143024135559
+  },
   {
    "board": "BRAF",
    "n_test": 183,
@@ -69,6 +95,19 @@
    "baseline_best_auroc": 0.7719771501110758,
    "noise_floor": 0.3133348834362967
   },
+  {
+   "board": "BRD4",
+   "n_test": 2402,
+   "mae": 0.9774666527893421,
+   "auroc": 0.7537556908562338,
+   "prauc": 0.7092523677840218,
+   "exact_hits": 0,
+   "exact_rate": 0.0,
+   "leak": "clean",
+   "baseline_best_mae": 0.8549645558861177,
+   "baseline_best_auroc": 0.8614308960927359,
+   "noise_floor": 0.3967347320136857
+  },
   {
    "board": "BSubtilis",
    "n_test": 2922,
@@ -199,6 +238,32 @@
    "baseline_best_auroc": 0.5653230349871636,
    "noise_floor": 0.8881466464306685
   },
+  {
+   "board": "ERalpha",
+   "n_test": 182,
+   "mae": 1.0282725274725275,
+   "auroc": 0.8411571334648258,
+   "prauc": 0.9017584295705214,
+   "exact_hits": 1,
+   "exact_rate": 0.0055,
+   "leak": "clean",
+   "baseline_best_mae": 1.1589064654100611,
+   "baseline_best_auroc": 0.8053911900065746,
+   "noise_floor": 0.5898926423102557
+  },
+  {
+   "board": "FactorXa",
+   "n_test": 225,
+   "mae": 0.9184844444444444,
+   "auroc": 0.765598852498207,
+   "prauc": 0.5042658895780472,
+   "exact_hits": 0,
+   "exact_rate": 0.0,
+   "leak": "clean",
+   "baseline_best_mae": 1.094230640216658,
+   "baseline_best_auroc": 0.6844370069328234,
+   "noise_floor": 0.08887506590142115
+  },
   {
    "board": "FLT3",
    "n_test": 853,
@@ -225,6 +290,19 @@
    "baseline_best_auroc": 0.5906132226907765,
    "noise_floor": 0.43882961559576933
   },
+  {
+   "board": "HDAC1",
+   "n_test": 1925,
+   "mae": 0.7397427532467533,
+   "auroc": 0.7283523088481766,
+   "prauc": 0.5862209171060172,
+   "exact_hits": 0,
+   "exact_rate": 0.0,
+   "leak": "clean",
+   "baseline_best_mae": 0.7944643549363846,
+   "baseline_best_auroc": 0.736935791481246,
+   "noise_floor": 0.5032481396777271
+  },
   {
    "board": "HER2",
    "n_test": 236,
@@ -368,6 +446,19 @@
    "baseline_best_auroc": 0.6174397293105879,
    "noise_floor": 0.36541362895542684
   },
+  {
+   "board": "Nav17",
+   "n_test": 1314,
+   "mae": 0.7235969558599694,
+   "auroc": 0.45238346393409684,
+   "prauc": 0.5883066485186595,
+   "exact_hits": 0,
+   "exact_rate": 0.0,
+   "leak": "clean",
+   "baseline_best_mae": 0.4444494229222585,
+   "baseline_best_auroc": 0.66640420936307,
+   "noise_floor": 0.07636114162240723
+  },
   {
    "board": "Phenotype",
    "n_test": 2001,
@@ -409,6 +500,19 @@
    "baseline_best_auroc": 0.6921824414881577,
    "noise_floor": 5.486785914462347
   },
+  {
+   "board": "Selectivity",
+   "n_test": 300,
+   "mae": 1.0733706666666667,
+   "auroc": 0.7501509661835749,
+   "prauc": 0.9584950568879484,
+   "exact_hits": 0,
+   "exact_rate": 0.0,
+   "leak": "clean",
+   "baseline_best_mae": 1.0795020109199338,
+   "baseline_best_auroc": 0.5,
+   "noise_floor": 0.6227901202607503
+  },
   {
    "board": "Solubility",
    "n_test": 4677,
@@ -422,6 +526,19 @@
    "baseline_best_auroc": 0.6932688073415427,
    "noise_floor": 0.5751407196134256
   },
+  {
+   "board": "Thrombin",
+   "n_test": 189,
+   "mae": 1.0748238095238094,
+   "auroc": 0.9358288770053476,
+   "prauc": 0.10882352941176471,
+   "exact_hits": 0,
+   "exact_rate": 0.0,
+   "leak": "clean",
+   "baseline_best_mae": 1.0024347685108415,
+   "baseline_best_auroc": 0.9946524064171123,
+   "noise_floor": 0.11936088145286239
+  },
   {
    "board": "Vdss",
    "n_test": 2870,